Information card for entry 7214704

Structure parameters

• Common name: 1:1 ethenzamide and 4-hydroxybenzoic acid
• Chemical name: cocrystal of ethenzamide with 4-hydroxybenzoic acid
• Formula: C16 H17 N O5
• Calculated formula: C16 H17 N O5
• SMILES: OC(=O)c1ccc(O)cc1.O(c1c(C(=O)N)cccc1)CC
• Title of publication: Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies
• Authors of publication: Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8515
• a: 9.4871 ± 0.0019 Å
• b: 6.4682 ± 0.0013 Å
• c: 23.703 ± 0.005 Å
• α: 90°
• β: 98.65 ± 0.03°
• γ: 90°
• Cell volume: 1438 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No